First‐Principles Thermal Expansion in Rb and Cs

Abstract

The thermal expansion of Rb and Cs is investigated using Toya's first‐principle approach with modified g‐function. The mode Grüneisen parameters γqj and the temperature dependence of both, the mean Grüneisen parameter γT and the thermal expansion coefficient βT are calculated and compared with the experimental data available up to the present time. The agreement obtained between theory and experiment is satisfactory. Copyright © 1984 WILEY‐VCH Verlag GmbH & Co. KGaA